SCHEMBL7243739

SCHEMBL7243739

CCc1cc(COC2CCCCO2)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CREBBP Q92793 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
EP300 Q09472 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12126157 0.86 KDM4C (0.41) KDM4CNPC1RAB9AL3MBTL1CREBBP
SCHEMBL15728474 0.76 KDM4C (0.38) KDM4CNPC1RAB9AL3MBTL1CREBBP
SCHEMBL24006607 0.73 KDM4C (0.41) KDM4CNPC1RAB9AL3MBTL1CREBBP
SCHEMBL12141797 0.73 ICAM1 (0.42) KDM4CNPC1RAB9AL3MBTL1CREBBP
SCHEMBL17773643 0.71 NPC1 (0.41) KDM4CNPC1RAB9AL3MBTL1CREBBP
SCHEMBL15728455 0.71 KDM4C (0.35) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL25220812 0.71 LMNA (0.43) KDM4CRAB9AL3MBTL1CREBBPMEN1
SCHEMBL29447793 0.71 KDM4C (0.40) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL23531793 0.70 KDM4C (0.43) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL24195847 0.70 KDM4C (0.39) KDM4CNPC1RAB9AL3MBTL1CREBBP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6506747-B1 Method of treating an inflammatory disease which comprises administering to a patient in need of such treatment-a N-(4-(5-Ethyl-3-pyridin-3-yl-pyrazol-1-yl)phenyl)pyridine-3-carboxamide; BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-01-14 US disclosed
WO-1999062885-A1 SUBSTITUTED 1-(4-AMINOPHENYL)PYRAZOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1999-12-09 WO disclosed